[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine

C9H15N3OS — CID 115028455

IUPAC[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC1(c2nc(CN)no2)CCSCC1
InChIInChI=1S/C9H15N3OS/c1-9(2-4-14-5-3-9)8-11-7(6-10)12-13-8/h2-6,10H2,1H3
InChIKeyYRTNTUUYJHCJAL-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.31
Rot. Bonds2

About [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 115028455) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID115028455
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC1(c2nc(CN)no2)CCSCC1
InChIInChI=1S/C9H15N3OS/c1-9(2-4-14-5-3-9)8-11-7(6-10)12-13-8/h2-6,10H2,1H3
InChIKeyYRTNTUUYJHCJAL-UHFFFAOYSA-N
XLogP1.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 106828749
[5-(3-ethyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 131134173
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65130645
3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145186
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63123708
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 131154498
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 63138132
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
N,N-dimethyl-5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-amine
CID 130742031

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 115028455) is [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine is CC1(c2nc(CN)no2)CCSCC1.
What is the InChIKey of [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is YRTNTUUYJHCJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2-4-14-5-3-9)8-11-7(6-10)12-13-8/h2-6,10H2,1H3.
What are the key properties of [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 213.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 115028455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).